4-fluoro-N-(1-pyridin-3-ylethyl)benzamide

C14H13FN2O — CID 18162974

IUPAC4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C14H13FN2O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-10H,1H3,(H,17,18)
InChIKeyFYLPHAGAZIRQRL-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.71
Rot. Bonds3

About 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide

4-fluoro-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 18162974) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID18162974
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C14H13FN2O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-10H,1H3,(H,17,18)
InChIKeyFYLPHAGAZIRQRL-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
3-fluoro-4-nitro-N-(1-pyridin-3-ylethyl)benzamide
CID 62681449
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide (CID 18162974) is 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is FYLPHAGAZIRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-10H,1H3,(H,17,18).
What are the key properties of 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide?
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 244.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 18162974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).